SCHEMBL7263163

SCHEMBL7263163

CN(C)C/C=C(/c1ccc(C(=O)N2CCCC2)cc1)c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 13/20 0.47
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7263161 1.00 MGLL (0.47) MGLLHPGDALDH1A1MAPTTP53
SCHEMBL7263159 1.00 MGLL (0.47) MGLLHPGDALDH1A1MAPTTP53
Citric Acid SCHEMBL7977599 0.89 MGLL (0.39) MGLLHPGDALDH1A1TP53HTT
Citric Acid SCHEMBL7989107 0.89 MGLL (0.39) MGLLHPGDALDH1A1TP53HTT
Citric Acid SCHEMBL7977602 0.89 MGLL (0.39) MGLLHPGDALDH1A1TP53HTT
SCHEMBL7268696 0.85 HPGD (0.52) MGLLHPGDALDH1A1TP53HTT
SCHEMBL7270759 0.85 HPGD (0.52) MGLLHPGDALDH1A1TP53HTT
SCHEMBL7268720 0.77 OPRD1 (0.48) HPGDALDH1A1MAPT
SCHEMBL7270013 0.77 OPRD1 (0.48) HPGDALDH1A1MAPT
SCHEMBL7268714 0.77 OPRD1 (0.48) HPGDALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873330-B1 DIARYLALKENYLAMINE DERIVATIVES GLAXOSMITHKLINE SPA (IT) 2003-05-14 EP claimed